2-chloro-N-(2-chloroethyl)-N-propylbenzenesulfonamide

C11H15Cl2NO2S — CID 63397021

IUPAC2-chloro-N-(2-chloroethyl)-N-propylbenzenesulfonamide
SMILESCCCN(CCCl)S(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C11H15Cl2NO2S/c1-2-8-14(9-7-12)17(15,16)11-6-4-3-5-10(11)13/h3-6H,2,7-9H2,1H3
InChIKeyDEQUJBFQLYGPRB-UHFFFAOYSA-N
MW296.22 g/mol
LogP2.98
Rot. Bonds6

About 2-chloro-N-(2-chloroethyl)-N-propylbenzenesulfonamide

2-chloro-N-(2-chloroethyl)-N-propylbenzenesulfonamide (PubChem CID 63397021) has the molecular formula C11H15Cl2NO2S and a molecular weight of 296.22 g/mol. Its IUPAC name is 2-chloro-N-(2-chloroethyl)-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-chloroethyl)-N-propylbenzenesulfonamide
PubChem CID63397021
Molecular FormulaC11H15Cl2NO2S
Molecular Weight296.22 g/mol
Exact Mass295.02
IUPAC Name2-chloro-N-(2-chloroethyl)-N-propylbenzenesulfonamide
SMILESCCCN(CCCl)S(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C11H15Cl2NO2S/c1-2-8-14(9-7-12)17(15,16)11-6-4-3-5-10(11)13/h3-6H,2,7-9H2,1H3
InChIKeyDEQUJBFQLYGPRB-UHFFFAOYSA-N
XLogP2.98
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.22
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2-chloro-N-propylbenzenesulfonamide
CID 134017133
N-benzyl-2-chloro-N-(2-chloroethyl)benzenesulfonamide
CID 63396801
N-(2-bromoethyl)-N-butyl-2-chlorobenzenesulfonamide
CID 80668725
2-amino-N,N-dipropylbenzenesulfonamide
CID 16783844
2-chloro-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 60957799
N-butyl-N-(2-chloroethyl)naphthalene-1-sulfonamide
CID 114795610
3-[(2-chlorophenyl)sulfonyl-ethylamino]propanethioamide
CID 54992834
5-bromo-4-chloro-N-(2-chloroethyl)-N-propylthiophene-2-sulfonamide
CID 80578653
N-(2-chloroethyl)-N-propyl-4-(trifluoromethyl)pyridine-3-sulfonamide
CID 143128434
N-(2-bromoethyl)-2-methyl-N-propylbenzenesulfonamide
CID 80673519
5-chloro-N-(2-chloroethyl)-4-methyl-N-propylthiophene-2-sulfonamide
CID 103100693
N-(2-aminoethyl)-N-propyl-2-(trifluoromethyl)benzenesulfonamide
CID 61349925

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-chloroethyl)-N-propylbenzenesulfonamide?
The IUPAC name of 2-chloro-N-(2-chloroethyl)-N-propylbenzenesulfonamide (CID 63397021) is 2-chloro-N-(2-chloroethyl)-N-propylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(2-chloroethyl)-N-propylbenzenesulfonamide?
The canonical SMILES for 2-chloro-N-(2-chloroethyl)-N-propylbenzenesulfonamide is CCCN(CCCl)S(=O)(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(2-chloroethyl)-N-propylbenzenesulfonamide?
The InChIKey is DEQUJBFQLYGPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO2S/c1-2-8-14(9-7-12)17(15,16)11-6-4-3-5-10(11)13/h3-6H,2,7-9H2,1H3.
What are the key properties of 2-chloro-N-(2-chloroethyl)-N-propylbenzenesulfonamide?
2-chloro-N-(2-chloroethyl)-N-propylbenzenesulfonamide has a molecular weight of 296.22 g/mol, XLogP of 2.98, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-chloroethyl)-N-propylbenzenesulfonamide is sourced from PubChem (CID 63397021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).